3-(imidazol-1-ylmethyl)-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-oxa-8-azaspiro[4.5]decan-1-one

C20H21N5O3 — CID 171915437

IUPAC3-(imidazol-1-ylmethyl)-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-oxa-8-azaspiro[4.5]decan-1-one
SMILESO=C1OC(Cn2ccnc2)CC12CCN(c1noc(-c3ccccc3)n1)CC2
InChIInChI=1S/C20H21N5O3/c26-18-20(12-16(27-18)13-24-11-8-21-14-24)6-9-25(10-7-20)19-22-17(28-23-19)15-4-2-1-3-5-15/h1-5,8,11,14,16H,6-7,9-10,12-13H2
InChIKeyRRCRDCUPRDPFPB-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.54
Rot. Bonds4

About 3-(imidazol-1-ylmethyl)-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-oxa-8-azaspiro[4.5]decan-1-one

3-(imidazol-1-ylmethyl)-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-oxa-8-azaspiro[4.5]decan-1-one (PubChem CID 171915437) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-oxa-8-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-oxa-8-azaspiro[4.5]decan-1-one
PubChem CID171915437
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name3-(imidazol-1-ylmethyl)-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-oxa-8-azaspiro[4.5]decan-1-one
SMILESO=C1OC(Cn2ccnc2)CC12CCN(c1noc(-c3ccccc3)n1)CC2
InChIInChI=1S/C20H21N5O3/c26-18-20(12-16(27-18)13-24-11-8-21-14-24)6-9-25(10-7-20)19-22-17(28-23-19)15-4-2-1-3-5-15/h1-5,8,11,14,16H,6-7,9-10,12-13H2
InChIKeyRRCRDCUPRDPFPB-UHFFFAOYSA-N
XLogP2.54
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[3-(imidazol-1-ylmethyl)-1-oxo-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]benzamide
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8-(furan-3-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 171911256
3-(imidazol-1-ylmethyl)-8-(1-methylindole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172660303
3-(imidazol-1-ylmethyl)-8-[3-(trifluoromethyl)pyridine-2-carbonyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172667255
3-(imidazol-1-ylmethyl)-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172669375
8-[2-(2,3-dimethylphenoxy)acetyl]-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172667084
(5S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97112209
3-(imidazol-1-ylmethyl)-8-[4-(4-methoxyphenyl)butanoyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172671913
8-(3-cyclopropyl-5-methyl-1H-pyrazole-4-carbonyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172672609
3-phenyl-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 119070010
8-(3-chloro-5-methoxybenzoyl)-3-(imidazol-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172662562
(5S)-3-methyl-9-(5-phenyl-1,2,4-oxadiazol-3-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95717468

Frequently Asked Questions

What is the IUPAC name of 3-(imidazol-1-ylmethyl)-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-oxa-8-azaspiro[4.5]decan-1-one?
The IUPAC name of 3-(imidazol-1-ylmethyl)-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-oxa-8-azaspiro[4.5]decan-1-one (CID 171915437) is 3-(imidazol-1-ylmethyl)-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-oxa-8-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-oxa-8-azaspiro[4.5]decan-1-one?
The canonical SMILES for 3-(imidazol-1-ylmethyl)-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-oxa-8-azaspiro[4.5]decan-1-one is O=C1OC(Cn2ccnc2)CC12CCN(c1noc(-c3ccccc3)n1)CC2.
What is the InChIKey of 3-(imidazol-1-ylmethyl)-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-oxa-8-azaspiro[4.5]decan-1-one?
The InChIKey is RRCRDCUPRDPFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c26-18-20(12-16(27-18)13-24-11-8-21-14-24)6-9-25(10-7-20)19-22-17(28-23-19)15-4-2-1-3-5-15/h1-5,8,11,14,16H,6-7,9-10,12-13H2.
What are the key properties of 3-(imidazol-1-ylmethyl)-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-oxa-8-azaspiro[4.5]decan-1-one?
3-(imidazol-1-ylmethyl)-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-oxa-8-azaspiro[4.5]decan-1-one has a molecular weight of 379.42 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazol-1-ylmethyl)-8-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-oxa-8-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 171915437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).